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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Hello everyone,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> I am doing a vc-relax calculation with PBE+D ( with .london. = true and PBE functional). In the output, an additional part called “Dispersion forces acting on atoms” is displayed after “Total forces acting on atoms” after each BFGS cycle. Do the values in total force part already include dispersion forces ? I am not sure with what I read from the codes.<o:p></o:p></span></p><p class=MsoNormal style='text-indent:21.0pt'><span lang=EN-US>Thanks very much.<o:p></o:p></span></p><p class=MsoNormal style='text-indent:21.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>------------------------------------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Wu F,<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>College of Chemistry and Molecular Engineering, Peking University.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>------------------------------------<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div></body></html>